1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene

C34H42F2O — CID 121459288

IUPAC1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCC4CCCCC4)cc3)c(F)c2F)cc1
InChIInChI=1S/C34H42F2O/c1-2-3-6-11-27-15-17-28(18-16-27)31-23-24-32(34(36)33(31)35)29-19-21-30(22-20-29)37-25-10-5-9-14-26-12-7-4-8-13-26/h15-24,26H,2-14,25H2,1H3
InChIKeyLTDWGIMHCTVYGV-UHFFFAOYSA-N
MW504.71 g/mol
LogP10.55
Rot. Bonds13

About 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene

1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene (PubChem CID 121459288) has the molecular formula C34H42F2O and a molecular weight of 504.71 g/mol. Its IUPAC name is 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
PubChem CID121459288
Molecular FormulaC34H42F2O
Molecular Weight504.71 g/mol
Exact Mass504.32
IUPAC Name1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCC4CCCCC4)cc3)c(F)c2F)cc1
InChIInChI=1S/C34H42F2O/c1-2-3-6-11-27-15-17-28(18-16-27)31-23-24-32(34(36)33(31)35)29-19-21-30(22-20-29)37-25-10-5-9-14-26-12-7-4-8-13-26/h15-24,26H,2-14,25H2,1H3
InChIKeyLTDWGIMHCTVYGV-UHFFFAOYSA-N
XLogP10.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.71
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 88626083
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
7-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]heptan-1-ol
CID 91403300
1-[4-[4-[4-(4-ethylcyclohexyl)butoxy]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 121459298
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene (CID 121459288) is 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCC4CCCCC4)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene?
The InChIKey is LTDWGIMHCTVYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F2O/c1-2-3-6-11-27-15-17-28(18-16-27)31-23-24-32(34(36)33(31)35)29-19-21-30(22-20-29)37-25-10-5-9-14-26-12-7-4-8-13-26/h15-24,26H,2-14,25H2,1H3.
What are the key properties of 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene?
1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene has a molecular weight of 504.71 g/mol, XLogP of 10.55, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 121459288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).